Geometry & MOs

Info

ID:	263263
PubChem CID:	103350278
Reduced:	BrNOC11H16 (1)
Stoich.:	ABCD11E16 (1)
Weight, g/mol:	431.89704
ΔH_f, kcal/mol:	-37.52
Dipole, Da:	3.0
IP(EA), eV:	-8.73(0.04)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[(3-bromo-5-nitrophenyl)methyl]-3-iodoaniline

Drug info:

PubChemData

Smile

CC(C)COCC1=CC(=CC(=C1)Br)N

DOS

IR

Vibrations